SCHEMBL2408440

SCHEMBL2408440

CC(NC(=O)c1ccc2occc2c1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
HTR1B P28222 1/20 0.52
HDAC6 Q9UBN7 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2405242 0.89 HDAC1 (0.60) TAS1R3TAS1R1HTR1BHDAC6HDAC1
SCHEMBL14880251 0.84 HTR1B (0.56) TAS1R3TAS1R1HTR1BHDAC6NAMPT
SCHEMBL2405077 0.79 MMP9 (0.58) HDAC6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3037611 0.78 ALDH1A1 (0.62) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL3024346 0.76 HDAC8 (0.57) TAS1R3TAS1R1HDAC6ALDH1A1MEN1
SCHEMBL3037590 0.76 NPC1 (0.61) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL3036088 0.76 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3034483 0.75 HDAC8 (0.56) TAS1R3TAS1R1HDAC6ALDH1A1MEN1
SCHEMBL2407415 0.75 SMN1; SMN2 (0.77) HDAC6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3610145 0.74 TAS1R3 (0.58) TAS1R3TAS1R1HTR1BNAMPTCTNNB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 TAS1R3 2481/4885TAS1R1 3035/4885HTR1B 622/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 TAS1R3 2481/4885TAS1R1 3035/4885HTR1B 622/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.